UCSF

ZINC55506535

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 6.73 -7.19 0 3 0 30 237.274 4
Mid Mid (pH 6-8) 2.35 8.44 -39 1 3 1 31 238.282 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )